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• W2012844891 abstract "We present a first principles description of the interaction of two ground-state scandium atoms. Scandium has a ${{}^{2}D}_{g}$ ground state. Thirty molecular states correlate to the lowest dissociation limit of the dimer. In the short range, potential energy curves are calculated using second-order $n$-electron valence state perturbation theory. The first-order long-range interaction is calculated at the complete active space self-consistent field level. We determine the second-order long-range dispersion interaction from atomic dynamic polarizabilities at imaginary frequencies. These polarizabilities are calculated using time-dependent density functional theory. We merge the short-range approach with the long-range model to obtain a physical description of the 30 potential energy curves correlating to the ${{}^{2}D}_{g}+{{}^{2}D}_{g}$ limit. Diabatic potentials are presented that can be used in quantum scattering calculations, in order to study Zeeman relaxation of ultracold scandium atoms." @default.
• W2012844891 created "2016-06-24" @default.
• W2012844891 creator A5005046584 @default.
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• W2012844891 date "2014-11-05" @default.
• W2012844891 modified "2023-09-27" @default.
• W2012844891 title "Cold magnetically trapped<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msup><mml:mrow /><mml:mn>2</mml:mn></mml:msup><mml:msub><mml:mi>D</mml:mi><mml:mi>g</mml:mi></mml:msub></mml:mrow></mml:math>scandium atoms. I. Interaction potential" @default.
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• W2012844891 doi "https://doi.org/10.1103/physreva.90.052701" @default.
• W2012844891 hasPublicationYear "2014" @default.
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